Information card for entry 4504398

Structure parameters

• Formula: C87 H185 N6 O55.5 S6
• Calculated formula: C87 H72 N6 O55.5 S6
• Title of publication: Polymeric Capsules and Honeycomb Aggregates Formed byp-Sulfonatocalix[6]arene with Phenanthrolinium Compounds
• Authors of publication: Liu, Yu; Li, Qiang; Guo, Dong-Sheng; Chen, Kun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1672
• a: 18.256 ± 0.003 Å
• b: 18.995 ± 0.003 Å
• c: 20.708 ± 0.004 Å
• α: 104.437 ± 0.003°
• β: 107.218 ± 0.006°
• γ: 109.746 ± 0.008°
• Cell volume: 5948.6 ± 1.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1677
• Residual factor for significantly intense reflections: 0.1415
• Weighted residual factors for significantly intense reflections: 0.3945
• Weighted residual factors for all reflections included in the refinement: 0.4195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.381
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No